(3S,8S,9S,10R,11R,13S,14S,17R)-10,13-dimethyl-17-[(2S)-1-(phenylsulfonyl)propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol

SpectraBase Compound ID	GRcVYLD61qj
InChI	InChI=1S/C28H40O4S/c1-18(17-33(31,32)21-7-5-4-6-8-21)23-11-12-24-22-10-9-19-15-20(29)13-14-27(19,2)26(22)25(30)16-28(23,24)3/h4-9,18,20,22-26,29-30H,10-17H2,1-3H3/t18-,20+,22+,23-,24+,25-,26-,27+,28-/m1/s1
InChIKey	TUDXNKXEBGPVHV-CBJLIGKFSA-N Google Search
Mol Weight	472.7 g/mol
Molecular Formula	C28H40O4S
Exact Mass	472.264731 g/mol

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SpectraBase Spectrum ID	IjZGTcASw7o
Name	(3S,8S,9S,10R,11R,13S,14S,17R)-10,13-dimethyl-17-[(2S)-1-(phenylsulfonyl)propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H40O4S
InChI	InChI=1S/C28H40O4S/c1-18(17-33(31,32)21-7-5-4-6-8-21)23-11-12-24-22-10-9-19-15-20(29)13-14-27(19,2)26(22)25(30)16-28(23,24)3/h4-9,18,20,22-26,29-30H,10-17H2,1-3H3/t18-,20+,22+,23-,24+,25-,26-,27+,28-/m1/s1
InChIKey	TUDXNKXEBGPVHV-CBJLIGKFSA-N
Molecular Weight	472.684 g/mol
SMILES	O[C@]1([C@@]2([C@]3(CC[C@@](CC3=CC[C@]2([C@]2([C@](C1)([C@](CC2)([C@@](CS(=O)(=O)c1ccccc1)(C)[H])[H])C)[H])[H])(O)[H])C)[H])[H]
SPLASH	splash10-004i-9000500000-5376621166297ce7b6cb
Source of Spectrum	KC-0-273-8
Synonyms	(3S,8S,9S,10R,11R,13S,14S,17R)-17-[(1S)-2-(benzenesulfonyl)-1-methyl-ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol (3S,8S,9S,10R,11R,13S,14S,17R)-17-[(1S)-2-besyl-1-methyl-ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol (3S,8S,9S,10R,11R,13S,14S,17R)-17-[(2S)-1-(benzenesulfonyl)propan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol
Wiley ID	780625